Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECRIranian Journal of Chemistry and Chemical Engineering1021-998638120190201Green Synthesis of Gold Nanoparticles Using Three Medicinal Plant Extracts as Efficient Reducing Agents1102935710.30492/ijcce.2019.29357ENRamin GhahremanzadehNanobiotechnology Research Center, Avicenna Research Institute, ACECR, Tehran, I.R. IRANFatemeh Yazdi SamadiNanobiotechnology Research Center, Avicenna Research Institute, ACECR, Tehran, I.R. IRANMaryam YousefiNanobiotechnology Research Center, Avicenna Research Institute, ACECR, Tehran, I.R. IRANJournal Article20161228<em><em>The aim of this work is a green synthesis of gold nanoparticles using the aqueous extract of Anthriscus sylvestris, Ferula gummosa, and Achillea eriohora leaf and stems as the reducing agents. The effects of reducing agent concentration in the reaction mixture and temperature on the size of the gold nanotriangles were studied. The nanoparticles were characterized using UV–Vis spectroscopy, XRD, and SEM. XRD studies show that the particles are crystalline in the cubic phase. However, the reduction of gold ions by plant extracts resulted in the formation of spherical gold nanoparticles with diameters from 18 to 56 nm.</em><br /></em>Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECRIranian Journal of Chemistry and Chemical Engineering1021-998638120190201Morphological and Crystallographic Characterization of Nanoparticles by Granulometry Image Analysis and Rietveld Refinement Methods11163117210.30492/ijcce.2019.31172ENYadolah GanjkhanlouDepartment of Physical Chemistry, Faculty of Chemical Technology, University of Pardubice, Studentská 573, CZ-532 10 Pardubice, CZECH RepublicAbdolmajid Bayandori MoghaddamSchool of Engineering Science, College of Engineering, University of Tehran, P.O. Box 11155-4563 Tehran, I.R. IRANJournal Article20170224<em>The particle size distribution of the resultant cobalt ferrite samples was determined from Scanning Electron Microscopy (SEM) images using the granulometry image analysis method. Results showed the nanosized particles of the samples. The X-Ray Diffraction (XRD) patterns of samples were also analyzed by Rietveld refinement method. The results indicated that the precipitated sample at 95 <sup>o</sup>C had cubic cobalt ferrite structure with F3dm:3 space group and high crystallinity. The lattice parameters, microstrain and crystallite size of samples were also calculated from the XRD pattern. With increasing the precipitation temperature, the crystallite and particle sizes were increased while the lattice parameter and microstrain were decreased. Regarding the results, it can be concluded that the lattice parameter of cobalt ferrite has a diverse relationship with crystallite size.</em>Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECRIranian Journal of Chemistry and Chemical Engineering1021-998638120190201The Effect of Surfactant Chain Length and Type on the Photocatalytic Activity of Mesoporous TiO2 Nanoparticles Obtained via Modified Sol-Gel Process17262952810.30492/ijcce.2019.29528ENSana KachbouriMaterial Environment and Energy Laboratory (UR14ES26), Faculty of Sciences of Gafsa, University of Gafsa, TUNISIAElimame ElalouiMaterial Environment and Energy Laboratory (UR14ES26), Faculty of Sciences of Gafsa, University of Gafsa, TUNISIAFaculty of Sciences of Gafsa, University of Gafsa, TUNISIAYounes MoussaouiOrganic Chemistry Laboratory (LR17ES08), Faculty of Sciences of Sfax, University of Sfax, TUNISIAFaculty of Sciences of Gafsa, University of Gafsa, TUNISIA0000-0003-0329-2443Journal Article20170710<em>Mesoporous amorphous and nanocrystalline titanium dioxide were prepared by simple and environmental friendly modified Sol-Gel method using cationic (C<sub>14</sub>TAB, C<sub>16</sub>TAB, C<sub>18</sub>TAB) and nonionic (Plantacare UP K55) surfactant as pore forming agent. The obtained particles were characterized by BET, TEM, FT-IR and XRD techniques. The effect of cationic surfactant chain length and type of template on the photocatalytic activity of as prepared TiO<sub>2</sub> nanoparticles were investigated by the degradation of rhodamine B in water solution under </em><em>UV irradiation. The results indicated that this process was well described by pseudo-first order kinetic</em><em> model. All the prepared titanium dioxide particles with cationic and nonionic surfactant exhibited higher performance for rhodamine B photo-degradation. The sample with large pore size and small particle size which obtained by using C<sub>18</sub>TAB surfactant showed high photocatalytic activity compared with the others samples and commercial P25. The mechanism of photocatalytic degradation of rhodamine B was proposed based on the degradation products determined by GC/MS and LC/MS. The performance of the recycled TiO<sub>2</sub> as photocatalyst was investigated.</em>Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECRIranian Journal of Chemistry and Chemical Engineering1021-998638120190201Ni@Zeolite-Y Nano-Porous: Preparation and Application as a High Efficient Catalyst for Facile Synthesis of Quinoxaline, Pyridopyrazine, and Indoloquinoxaline Derivatives27412936010.30492/ijcce.2019.29360ENMehdi KalhorDepartment of Chemistry, Payame Noor University (PNU), P.O. BOX 19395-4697 Tehran, I.R. IRAN0000-0003-4879-405xZahra SeyedzadeDepartment of Chemistry, Payame Noor University (PNU), P.O. BOX 19395-4697 Tehran, I.R. IRANJournal Article20170915<em>In this research, by a simple and modified method, nanoporous of Ni(II) ion loaded Y-type zeolite (NNZ) was designed and applied as a novel highly efficient catalyst for the synthesis of quinoxalines, pyrido[2,3-b]pyrazines, and indolo[2,3-b]quinoxalines <strong>3a-s</strong>. </em><em>These heterocycles were obtained through a one-pot condensation reaction of aryl-1,2-diamines with 1,2-diketones or the isatin in the presence of catalytic amount of Ni@zeolite-Y in ethanol or acetic acid at room temperature giving good to excellent yield. The structure of entitled catalyst was identified with FT-IR spectroscopy, Energy Dispersive X-ray (EDX), Scanning Electron Microscopy (SEM) and Brunauer-Emmett-Teller (BET) analysis. </em><em>This method has some advantages such as </em><em>the use of inexpensive, safety, stable and recyclable catalyst, high yields, short reaction times, and easy isolation of the product. It can be claimed that this approach in simplicity covers the goals of green chemistry.</em>Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECRIranian Journal of Chemistry and Chemical Engineering1021-998638120190201Adsorption of Aniline Toxic Gas on a BeO Nanotube43483004210.30492/ijcce.2019.30042ENSahar MohajeriDepartment of Chemistry, Ardabil Branch, Islamic Azad University, Ardabil, I.R. IRANMina KamaniDepartment of Chemistry, College of Chemistry, Yadegar-e-Imam Khomeini (RAH) Branch,
Islamic Azad University, Tehran, I.R. IRANAli Akbar SalariDepartment of Chemistry, College of Chemistry, Yadegar-e-Imam Khomeini (RAH) Branch,
Islamic Azad University, Tehran, I.R. IRANMaziar NoeiDepartment of Chemistry, College of Chemical Engineering, Mahshahr Branch, Islamic Azad University, Mahshahr, I.R. IRANMaryam EbrahimikiaDepartment of Chemistry, College of Chemistry, Yadegar-e-Imam Khomeini (RAH) Branch,
Islamic Azad University, Tehran, I.R. IRANNastaran AhmadaghaeiDepartment of Chemistry, College of Chemistry, Yadegar-e-Imam Khomeini (RAH) Branch,
Islamic Azad University, Tehran, I.R. IRANNazanin MolaeiDepartment of Chemistry College of Chemistry, Omidiyeh Branch, Islamic Azad University, Omidiyeh, I.R. IRANJournal Article20170717<em>Electrical sensitivity of a beryllium oxide nanotube (BeONT) was examined toward aniline (C<sub>6</sub>H<sub>5</sub> NH<sub>2</sub>) molecule by using Density Functional Theory (DFT) calculations at the B3LYP/6-31G (d) level, and it was found that the adsorption energy (E<sub>ad</sub>) of aniline on the pristine nanotubes is about -19.06kcal/mol. However, when nanotube has been doped by P and S atoms, </em><em>the adsorption energy of aniline molecule was decreased. The calculation showed that when the nanotube</em><em> is doped by S, The adsorption energy is about -8.61kcal/mol and also the amount of HOMO/LUMO energy gap (E<sub>g</sub>) will reduce significantly. As a conclusion, Beryllium oxide nanotube is a suitable </em><em>adsorbent for aniline and can be used in different processes of aniline. It seems that nanotube (BeONT)</em><em> is an appropriate semiconductor after being doped. The doped BeONT in the presence of aniline generates an electrical signal directly and therefore can be potentially used for aniline sensors.</em>Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECRIranian Journal of Chemistry and Chemical Engineering1021-998638120190201Synthesis and Cytotoxicity Evaluation of N-(5-(Substituted-benzylthio)-1,3,4-thiadiazole-2-yl)-2-p-nitrophenylacetamide Derivatives as Potential Anticancer Agents49553012810.30492/ijcce.2019.30128ENAlireza AliabadiPharmaceutical Sciences Research Center, Health Institute, Faculty of Pharmacy, Kermanshah University of Medical Sciences, Kermanshah, I.R. IRANDepartment of Medicinal Chemistry, Faculty of Pharmacy, Kermanshah University of Medical Sciences, Kermanshah, I.R. IRANRezvan FereidooniDepartment of Medicinal Chemistry, Faculty of Pharmacy, Kermanshah University of Medical Sciences, Kermanshah, I.R. IRANStudents Research Committee, Kermanshah University of Medical Sciences, Kermanshah, I.R. IRANAmir KianiDepartment of Pharmacology and Toxicology, Faculty of Pharmacy, Kermanshah University of Medical Sciences, Kermanshah, I.R. IRANJournal Article20160727<em>Cancer is a big global problem and is one of the top and main causes of mortality in developed countries. Many of the current treatments and anticancer therapeutics have problems with severe side effects and on the other hand, the drug resistance is also another obstacle in the cancer chemotherapy. Hence, there is a strong demand for the discovery and development of effective new antineoplastic therapies. According to the in vitro effectiveness of 1,3,4-thiadiazole based compounds as anticancer agents, new 1,3,4-thiadiazole based derivatives with various electron withdrawing and electron donating moieties were synthesized and tested by MTT assay against three cancerous cell lines. PC3 (Prostate cancer), U87-C-531 (Glioblastoma) and MDA-MB-231 (Breast cancer) cell lines were applied for MTT assay and obtained results were compared to imatinib. Study of the structure activity relationship of prepared compounds showed electron withdrawing substituents such as Cl, F and NO<sub>2</sub> enhanced the anticancer properties compared </em><em>to compound without any substituent (compound 3l) or compounds with electron donating (methoxy)</em><em> substituent (compounds 3j and 3k). Totally, compound 3a (IC<sub>50</sub> = 10.6 µM) showed superior activity against PC3 cell line and compounds 3d (IC<sub>50</sub> = 10.3 µM), 3h (IC<sub>50</sub> = 12.5 µM) and 3j (IC<sub>50</sub> = 11.3 µM) exhibited higher activity against MDA-MB-231 cell line compared to imatinib as reference drug.</em>Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECRIranian Journal of Chemistry and Chemical Engineering1021-998638120190201Four-Component, One-Pot Synthesis of Novel Conjugated Indole-Imidazole Derivatives57643070510.30492/ijcce.2019.30705ENSadia NaureenInstitute of Chemistry, University of the Punjab, Quaid-e-Azam Campus, Lahore, PAKISTANGovt. Post Graduate Islamia College for Women Cooper Road, Lahore, PAKISTANFaryal ChaudhryInstitute of Chemistry, University of the Punjab, Quaid-e-Azam Campus, Lahore, PAKISTANKinnaird College for Women University, Lahore, PAKISTANNadia AsifInstitute of Chemistry, University of the Punjab, Quaid-e-Azam Campus, Lahore, PAKISTANMunawar Ali MunawarInstitute of Chemistry, University of the Punjab, Quaid-e-Azam Campus, Lahore, PAKISTANMisbahul Ain KhanInstitute of Chemistry, University of the Punjab, Quaid-e-Azam Campus, Lahore, PAKISTANDepartment of Chemistry, The Islamia University of Bahawalpur, Bahawalpur – 63100, PAKISTANJournal Article20170710<em>A series of new tetrasubstituted imidazoles 2-phenyl-3-(1, 4, 5-triphenyl-1H-imidazol-2-yl)-1H-indole derivatives substituted with –F, Cl, Br, I,-OCH<sub>3</sub> and -NHCOCH<sub>3</sub> were synthesized using a multicomponent reaction. The compounds were obtained in good yields by easy workup and with high purity</em>Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECRIranian Journal of Chemistry and Chemical Engineering1021-998638120190201Synthesis, Characterization, and Application of a Bio-Based Plasticizer for PVC: Epoxidized Acetylation Cardanol65713620710.30492/ijcce.2019.36207ENYufeng MaInstitute of Chemical Industry of Forest Products, Chinese Academy of Forestry (CAF),
Nanjing 210042, P.R. CHINA
College of Materials Science and Engineering, Nanjing Forestry University, Nanjing 210037, P.R. CHINAPuyou JiaInstitute of Chemical Industry of Forest Products, Chinese Academy of Forestry (CAF),
Nanjing 210042, P.R. CHINALihon HuInstitute of Chemical Industry of Forest Products, Chinese Academy of Forestry (CAF),
Nanjing 210042, P.R. CHINAGuodong FengInstitute of Chemical Industry of Forest Products, Chinese Academy of Forestry (CAF),
Nanjing 210042, P.R. CHINAMeng ZhangInstitute of Chemical Industry of Forest Products, Chinese Academy of Forestry (CAF),
Nanjing 210042, P.R. CHINAYonghong ZhouInstitute of Chemical Industry of Forest Products, Chinese Academy of Forestry (CAF),
Nanjing 210042, P.R. CHINAJournal Article20171031<em>A bio-based plasticizer, epoxidized acetylation cardanol, was synthesized from cardanol, which experienced acetylation reaction and epoxidation reaction. Chemical structure of epoxidized acetylation cardanol was characterized by FT-IR and <sup>1</sup>H NMR. Plasticized PVC films (PVC-P) were prepared by casting method with 40%wt of epoxidized acetylation cardanol as a plasticizer. Thermal stability and plasticizing effect of PVC and PVC-P were investigated. The results presented that epoxidized acetylation cardanol enhanced the thermal stability of PVC-P and decreased glass transition temperature (Tg) from 81.9°C to 1.6°C. The tensile strength decreased from 26.60 MPa to 8.06 MPa, the elongation at break increased from 167.21 % to 905.44%. All of the results indicated that epoxidized acetylation cardanol could be used as the main plasticizer for preparing flexible PVC materials.</em>Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECRIranian Journal of Chemistry and Chemical Engineering1021-998638120190201Gold (I) Complexes of 2,2'-Biimidazolate Ligand: Syntheses and Spectral Properties of Hetero-polymetallic Complexes Having Ru2Au2 Core73822952710.30492/ijcce.2019.29527ENKunal RoyDepartment of Chemistry, Serampore College, Serampore. District- Hooghly, Pin-712201. West Bengal, INDIAJournal Article20170425<em>The reaction of [Ru(L)<sub>2</sub>(H<sub>2</sub>biim)](ClO<sub>4</sub>)<sub>2 </sub>[L<sup>1</sup> = 2,2</em><em>¢</em><em>-bipyridine (bpy) or L<sup>2</sup> = 2-(phenylazo)pyridine (pap) and H<sub>2</sub>biim = 2,2</em><em>¢</em><em>-biimidazole] with Au(tht)Cl (tht = tetrahydrothiophene) in presence of base in methanol produced a terametallic cationic complex [{Ru(L)<sub>2</sub>(biim)}<sub>2</sub>Au<sub>2</sub>]<sup>2+</sup>, [1]<sup>2+</sup> which was isolated as its perchlorate salt. The compounds were characterized by various spectroscopic techniques. ESIMS data of these fully corroborate with </em><em>their formulation. Spectral data of all the polymetallic systems are reported and compared. The redox</em><em> properties of the complexes are interesting. The complex [{Ru(bpy)<sub>2</sub>(biim)}<sub>2</sub>Au<sub>2</sub>](ClO<sub>4</sub>)<sub>2</sub> showed </em><em>one irreversible metal based oxidation at 1.43 V whereas the compound [{Ru(pap)<sub>2</sub>(biim)}<sub>2</sub>Au<sub>2</sub>](ClO<sub>4</sub>)<sub>2</sub></em><em> showed one irreversible ligand based oxidation at 1.34 V. This type of binding mode of the biimidazolate anion containing Ru<sub>2</sub>Au<sub>2</sub> core is rare in the literature. ‘Metal complex as ligand’ strategy provides a platform for the synthesis novel polymetallic complexes of gold(I).</em>Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECRIranian Journal of Chemistry and Chemical Engineering1021-998638120190201Synthesis of Hydroxyapatite Containing some Trace Amounts Elements in Simulated Body Fluids83912979210.30492/ijcce.2019.29792ENXiaojun GuoCollege of Chemistry & Chemical Engineering, Northwest Normal University, Lanzhou, 730070, P.R. CHINADai LiCollege of Chemistry & Chemical Engineering, Northwest Normal University, Lanzhou, 730070, P.R. CHINAJournal Article20170916<em>Spherical-like hydroxyapatite (HA, Ca<sub>10</sub>(PO<sub>4</sub>)<sub>6</sub>(OH)<sub>2</sub>) particles were prepared </em><em>by the co-precipitation method in a simulated physiological environment. The effect of calcining temperature,</em><em> calcining time and the Ca/P ratio of the initial feeding on the morphology and crystallinity of HA were investigated in detail. Interestingly, while the Ca/P ratio of the initial feeding is 1.80, the obtained HA powders calcined at 800 °C for 2 h contain trace amounts of Na and Mg ions, and the (Ca+Na+Mg)/P ratio is equal to 1.66, which is close to the stoichiometric ratio 1.67 of HA. And a better route with shorter reaction time for the synthesis of HA containing trace amounts of Na and Mg elements was acquired.</em>Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECRIranian Journal of Chemistry and Chemical Engineering1021-998638120190201Tailoring the Characteristics of Poly (phenylene-ether-ether) sulfone Membrane for Efficient Glycerol/Biodiesel Separation931003378510.30492/ijcce.2019.33785ENSamaneh Koudzari FarahaniDepartment of Energy, Materials and Energy Research Center (MERC), P.O. Box 31787-316 Karaj, I.R. IRANFarah Sadat HalekDepartment of Energy, Materials and Energy Research Center (MERC), P.O. Box 31787-316 Karaj, I.R. IRANSayed Mohsen HosseiniDepartment of Chemical Engineering, Faculty of Engineering, Arak University, P.O. Box 38156-88349 Arak, I.R. IRANSayed Siavash MadaeniMembrane Research Centre, Department of Chemical Engineering, Razi University,
P.O. Box 67149 Kermanshah, I.R. IRANJournal Article20170112<em>Poly (phenylene-ether-ether) sulfone membrane was fabricated and characterized by efficient glycerol/biodiesel separation produced from waste cooking oils trans-esterification. The membrane preparation was processed by phase inversion technique. The morphology, Physico-chemical properties and separation behavior of membranes were studied at various PPEES concentration. A uniform surface was observed for the prepared membranes by scanning electron microscopy. AFM images exhibited that surface roughness was decreased from 9.24 to 7.26 nm by the increase of PPEES concentration from 12 to 15 %wt. Similar trend was found for the membrane Flux, water content, and porosity by the increase of PPEES content ratio up to 15 %wt. The efficiency of glycerol removal and mechanical strength was also improved by the increase of polymeric matrix concentration.</em>Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECRIranian Journal of Chemistry and Chemical Engineering1021-998638120190201Adsorption of Lead and Copper by a Carbon Black and Sodium Bentonite Composite Material: Study on Adsorption Isotherms and Kinetics1011093621910.30492/ijcce.2019.36219ENThabo MatthewsDepartment of Applied Chemistry, National University of Science and Technology, Bulawayo, ZIMBABWEStephen MajoniDepartment of Applied Chemistry, National University of Science and Technology, Bulawayo, ZIMBABWEBothwell NyoniDepartment of Applied Chemistry, National University of Science and Technology, Bulawayo, ZIMBABWEBobby NaidooBiosorption and Water Research Laboratory Department of Chemistry, Vaal University of Technology,
Private Bag X021, Vanderbijlpark, 1911, Andries Potgieter Blvd, SOUTH AFRICAHalenden ChiririwaBiosorption and Water Research Laboratory Department of Chemistry, Vaal University of Technology, Private Bag X021, Vanderbijlpark, 1911, Andries Potgieter Blvd, SOUTH AFRICA
Department of Applied Chemistry, National University of Science and Technology, Bulawayo, ZIMBABWE0000-0002-1417-5050Journal Article20170107T<em>he efficiency of using a composite of carbon black and sodium bentonite in treating drinking water contaminated with lead and copper ions was analysed. The effects of pH, contact time, concentration and adsorbent dosage using an adsorbent composite of 20 % sodium bentonite and 80 % carbon black were studied. The adsorption data was tested with respect to Langmuir, Freundlich and Temkin isotherms. The data fit well with the Langmuir isotherm model with high coefficients of determination for both metal ions adsorption. The adsorption kinetics follows a pseudo second-order model for both metal ions. The maximum metal ion uptake (q<sub>max</sub>) of the composite adsorbent is 7.69 and 0.80 mg/g for lead and copper respectively.</em>Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECRIranian Journal of Chemistry and Chemical Engineering1021-998638120190201BP-ANN Approach for Modeling Cd(II) Bio-Sorption from Aqueous Solutions Using Cajanus cajan Husk1111253219110.30492/ijcce.2019.32191ENMallappa A. DevaniDepartment of Chemical Engineering, National Institute of Technology, Rourkela - 769008, Odisha, INDIAJohn U. Kennedy OubagaranadinDepartment of Ceramic and Cement Technology, PDA College of Engineering, Gulbarga - 585102, Karnataka, INDIABasudeb MunshiDepartment of Chemical Engineering, National Institute of Technology, Rourkela - 769008, Odisha, INDIABipin Bihari LalDepartment of Civil Engineering, B. K. Institute of Technology, Bhalki, Bidar - 585328, Karnataka, INDIASandip MandalDepartment of Chemistry, National Institute of Technology, Rourkela - 769008, Odisha, INDIAJournal Article20170713<em>This work aims at the modeling of bio-sorption of cadmium(II) onto physically and chemically activated Cajanus cajan (Pigeon pea) husks. Experimental data obtained were fitted to a number of isotherm and kinetic models, and the results interpreted. The monolayer Cd(II) bio-sorption capacities of the husk were found to considerably increase by 2.82 times due to chemical activation, for bio-sorption from a solution containing an initial Cd(II) concentration of 100 mg/L and by about 1.78 times for a solution containing an initial Cd(II) concentration of 150 mg/L. Further, the </em><em>BackPropagation Artificial Neural Network (BP-ANN) was applied to understand the accuracy and prediction of isotherm and kinetic data. The tangent sigmoid transfer function was used at the input to hidden layer whereas a linear function was used at output layer. The isotherm and kinetic data were distributed into training (65%) and testing (35%) phase. The training, testing, and prediction by BP-ANN were found to be adequate, with an absolute relative percentage error of 2.1827 and correlation coefficient R<sup>2</sup>of 0.9967 and 0.9863 at prediction for isotherm and kinetic studies, respectively. Comparison of BP-ANN and experimental results indicated that the prediction model is capable of predicting the bio-sorption effectiveness with good accuracy.</em>Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECRIranian Journal of Chemistry and Chemical Engineering1021-998638120190201The Thermodynamic and Kinetics Study of Removal of Cd(II) by Nanoparticles of Cobalt Oxide in Aqueous Solution1271393058710.30492/ijcce.2019.30587ENNewsha JavadniaDepartment of Chemistry, College of Science, Shahid Chamran University of Ahvaz, Ahvaz, I.R. IRANAbdolhadi FarrokhniaDepartment of Chemistry, College of Science, Shahid Chamran University of Ahvaz, Ahvaz, I.R. IRAN0000-0002-3286-6277Journal Article20170907<em>Cadmium is an extremely toxic metal, which even in low levels is harmful to the human body, animals and also plants. Human manufactures such as cadmium-nickel batteries and pesticides, plastic, make the earth polluted with cadmium; therefore removal of the cadmium Water is vital for human and animal. Scientists use different methods for cadmium removal including adsorption, precipitation, ion exchange, and solvent extraction. In this study the removal of cadmium ion from aqueous solution by nanoparticles of cobalt oxide were investigated. The sol-gel method was used to synthesize cobalt oxide nanoparticles. The characterization of synthesized cobalt oxide was investigated by Fourier Transfer Infrared Spectrometry (FT-IR), X-ray Photoelectron Spectroscopy (XPS), Scanning Electron Microscope (SEM), and a Transmission Electron Microscope (TEM). The important parameters influencing on the adsorption process were studied, including pH, buffer volume, amount of adsorption, contact time, in-time differentiate temperature and Taguchi designed experiment. The kinetic of removal process was investigated and found that it is followed pseudo-second-order kinetics. In this study, four famous isotherms were considered to investigate and the results indicated that the Langmuir model gave a better fit to the experimental data.</em>Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECRIranian Journal of Chemistry and Chemical Engineering1021-998638120190201Removal of Cd2+ from Aqueous Solution by Nickel Oxide/CNT Nanocomposites1411543013010.30492/ijcce.2019.30130ENTahereh Navaei DivaDepartment of Chemistry, Science and Research Branch, Islamic Azad University, Tehran, I.R. IRANKarim ZareDepartment of Chemistry, Science and Research Branch, Islamic Azad University, Tehran, I.R. IRANFarshad TaleshiDepartment of Physics, Qaemshahr Branch, Islamic Azad University, Qaemshahr, I.R. IRANMohammad YousefiDepartment of Chemistry, Science and Research Branch, Islamic Azad University, Tehran, I.R. IRANJournal Article20170606<em>The present work investigates the efficiency of the nickel oxide/carbon nanotube (NiO/CNT) nanocomposite for the removal of Cd<sup>2+</sup> metal ions from an aqueous. The NiO/CNT nanocomposite was synthesized by the direct co-precipitation method in an aqueous media </em><em>in the presence of CNTs. The resulting materials were characterized by FT-IR, XRD, SEM, N2 adsorption-desorption</em><em> analysis. </em><em>In order to optimize the adsorption of Cd<sup>2+</sup> ions on NiO/CNT</em><em> nanocomposite, the effects of the different parameters—namely pH, contact time, initial concentration of Cd<sup>2+</sup>, and adsorbent dosage—were also studied. </em><em>Experimental data revealed that the Cd<sup>2+</sup> ions adsorption of the NiO/CNT nanocomposite was through Langmuir and Temkin isotherm models rather than </em><em>the Freundlich model. The kinetic data of adsorption of Cd<sup>2+</sup> ions on the adsorbent was best described</em><em> by a pseudo-second-order equation, indicating their chemical adsorption. Thermodynamic parameters such as ΔG°, ΔH°, and ΔS° were calculated</em><em>.</em><em> The obtained values showed that the adsorption was spontaneous and exothermic in nature.</em> <em>The reusability test showed that the Cd<sup>2+ </sup>could be easily removed from the surface site of NiO/CNT nanocomposite by a 0.1 M nitric acid solution as the adsorption capacity was maintained after 5 cycles of the adsorption/desorption process. This suggests that NiO/CNT nanocomposite can be reused through many cycles of water treatment and regeneration.</em>Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECRIranian Journal of Chemistry and Chemical Engineering1021-998638120190201An Experimental Study of the Effects of the Mud Boil-up Process on the Physico-Chemical Properties of Grape Syrup1551612949410.30492/ijcce.2019.29494ENBatool Naderi BeniDepartment of Chemistry of Islamic Azad University, Shahrekord Branch, Shahrekord, I.R. IRANAli Naderi BeniSenior Scientist at Texas OilTech Laboratories, 10630 Fallstone Rd, Houston, TX 77099, USAJournal Article20160801<em>The deficiency of calcium, magnesium, potassium, and iron leads to severe disorders in human body organs. This study introduces Dooshab as a food source of these useful elements. The Dooshab which translates to grape syrup is widely used in Iran. In the traditional method of the Dooshab production, the white soil is added to the grape juice and the mixture is boiled. After cooling, it is filtered. To get the syrup, the filtered juice is boiled again and concentrated. </em><em>In this research, grape juice was divided into two equal parts. A known amount of white soil was added</em><em> to one of the samples. Then, both samples were boiled and left to cool down. After paper filtering, the pH of each sample was measured. Heating was continued until liquids were concentrated and converted to syrup. Both samples which are produced from using mud-boiled up the stage and skipping this step were diluted to fixed volumes. Similar amounts of two samples were ashed and dissolved in distilled water and tested. The atomic absorption spectroscopy, spectrophotometry, and flame atomic emission spectroscopy techniques were used for quantitative analyses. The calcium, magnesium, iron and potassium quantity are 12 mg, 6.82 mg, 2.32 mg, and 250 mg in 25 mL of the Dooshab and 1.75 mg, 0.65 mg, 1.28 mg, and 65 mg in 25 mL of grape sauce, respectively. This study demonstrates that boiling of grape juice with the white soil decreases the acidity and increases the amounts of useful elements in grape syrup.</em> Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECRIranian Journal of Chemistry and Chemical Engineering1021-998638120190201The Effect of Sodium Alginate Coating Incorporated with Lactoperoxidase System and Zataria multiflora boiss Essential Oil on Shelf Life Extension of Rainbow Trout Fillets During Refrigeration1631723076310.30492/ijcce.2019.30763ENSaber Barkhori-MehniDepartment of Food Hygiene and Aquaculture, Faculty of Veterinary Medicine,
Ferdowsi University of Mashhad, Mashhad, I.R. IRANSaeid KhanzadiDepartment of Food Hygiene and Aquaculture, Faculty of Veterinary Medicine, Ferdowsi University of Mashhad, Mashhad, I.R. IRANMohammad HashemiDepartment of Nutrition, Faculty of Medicine, Mashhad University of Medical Sciences, Mashhad, I.R. IRANMedical Toxicology Research Center, Mashhad University of Medical Sciences, Mashhad, I.R. IRANMohammad AzizzadehDepartment of Clinical Sciences, Faculty of Veterinary Medicine, Ferdowsi University of Mashhad, Mashhad, I.R. IRANJournal Article20170726<em>The present study is aimed at evaluating the effect of functional alginate coating incorporated with Lactoperoxidase (LPOS) and Zataria multiflora Essential Oil (ZEO) or both as natural additives on microbial and chemical characteristics of rainbow trout fillets. Firstly, Different treatments of trout fillets were prepared using ZEO (0.5 and 1%) and LPOS (5%) individually and in combination. Then stored in the refrigerator for 16 days and were analyzed for chemical (pH and Total Volatiles Base-Nitrogen (TVB-N)) and microbial (Total mesophilic viable count, psychotropic count, Shewanella putrefaciens count, and Pseudomonas spp. count) characteristics at 4-day intervals. Results indicated that the combination of ZEO and LPOS had the strongest effect on chemical spoilage parameters (TVN, pH) and spoilage microbial flora of trout fillets during storage; however, samples with the individual use of ZEO or LPOS also had </em>statistically significant(<em>P<0.05</em>) <em>effects on preserving the chemical and microbial quality of trout fillets. According to the results, the application of sodium alginate coating impregnated with LPOS and ZEO especially in combination can control undesirable chemical and microbial changes of fish and extend its shelf life during refrigeration.</em>Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECRIranian Journal of Chemistry and Chemical Engineering1021-998638120190201Molecularly Imprinted Stir Bar Sorptive Extraction Coupled with High-Performance Liquid Chromatography for Trace Analysis of Diclofenac in Different Real Samples1731832977710.30492/ijcce.2019.29777ENSayyed Hossein HashemiDepartment of Marine Chemistry, Faculty of Marine Science, Chabahar Maritime University,
P.O. Box 98617-85553 Chabahar, I.R. IRANZahra MonfaredzadehDepartment of Marine Chemistry, Faculty of Marine Science, Chabahar Maritime University,
P.O. Box 98617-85553 Chabahar, I.R. IRANJournal Article20170720<em>A novel molecularly imprinted polymer-coated stir bar has been used to selectively extract diclofenac (DFC) directly from real samples. DFC was used as template molecule for preparation of MIP coating. The effect of different parameters on the extraction efficiency were studied and the optimum conditions were established as: the absorption and desorption times were fixed at 10 min, stirring speed was 600 rpm, pH was adjusted to 5.1, the amount of NaCl </em><em>was 0.35 mol/L and extraction process was performed at a temperature of 45 °C. Under the optimum</em><em> conditions, the linear range of method was 0.5- 500.0 µg/L for DFC and the detection limit </em><em>was calculated to be 0.15 µg/L with an enrichment factor of 242 folds. The technique was successfully</em><em> applied for the analysis of trace amounts of DFC in seawater and commercial tablet samples. </em><em>The mean recoveries of spiking real samples with DFC at 10.0 µg/L level were between 94.2-100.0 %</em><em> with a mean RSD of 0.7-4.6%.</em>Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECRIranian Journal of Chemistry and Chemical Engineering1021-998638120190201Computational Evaluation of Corrosion Inhibition of Four Quinoline Derivatives on Carbon Steel in Aqueous Phase1852002977610.30492/ijcce.2019.29776ENShirin ElmiDepartment of Chemistry, Kerman Branch, Islamic Azad University, Kerman, I.R. IRANMohammad Mehdi ForoughiDepartment of Chemistry, Kerman Branch, Islamic Azad University, Kerman, I.R. IRANMaryam DehdabYoung Researchers and Elite Club, Bushehr Branch, Islamic Azad University, Bushehr, I.R. IRANMehdi Shahidi-ZandiDepartment of Chemistry, Kerman Branch, Islamic Azad University, Kerman, I.R. IRANJournal Article20170723<em>Molecular Dynamics (MD) simulation and Density Functional Theory (DFT) methods have been used to evaluate the efficiency of four quinoline derivatives on corrosion inhibition in the aqueous phase. Some quantum chemical parameters such as hardness (η), electrophilicity (w), polarizability (a</em><em>), </em><em>energy of the highest occupied molecular orbital (E<sub>HOMO</sub>), energy of the lowest unoccupied molecular orbital (E<sub>LUMO</sub>), electronegativity (c), total amount of electronic charge transferred (ΔN), Total Negative Charges (TNC) on the whole of the molecule, Molecular Volume (MV), surface area and Fukui index were calculated. Molecular dynamics simulation showed a view of the dynamic evolution of the interaction energy between surface of metal and inhibitors. Results of two methods showed QUIN4 inhibitor has higher negative interactions and efficiency as compared to the other inhibitors, which was consistent with the experimental report.</em>Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECRIranian Journal of Chemistry and Chemical Engineering1021-998638120190201Simulation of Methane Partial Oxidation in Porous Media Reactor for Hydrogen Production2012122977810.30492/ijcce.2019.29778ENMohammad Reza ShahnazariK.N. Toosi University of Technology, Tehran, I.R. IRANHamid Reza LariK.N. Toosi University of Technology, Tehran, I.R. IRANMasoud Zia BasharhaghK.N. Toosi University of Technology, Tehran, I.R. IRAN0000-0002-3786-6401Journal Article20170516<em>The enactment of strict laws on reducing pollution and controlling combustion has given rise to the necessity of considering a new approach to energy supply in the future. One such approach is the use of hydrogen as an alternative to fossil fuels. Hydrogen and synthesis gas are typically produced through the partial oxidation of methane in porous media. This process was theoretically simulated in this study through the modeling of a tubular reactor filled with a porous medium. With a view to achieving increased hydrogen production, the investigation focused on the following tasks: The best equivalence ratio of fuel to air was determined, and the effects of reactor diameter and length were examined to identify the most favorable reactor size for hydrogen production. The effects of fuel flow rate and porous media properties, such as grain size and porosity, on hydrogen production, were also investigated.</em>Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECRIranian Journal of Chemistry and Chemical Engineering1021-998638120190201Effects of Viscosity Variations on Buoyancy-Driven Flow from a Horizontal Circular Cylinder Immersed in Al2O3-Water Nanofluid2132323004110.30492/ijcce.2019.30041ENMohammad Reza HabibiEnergy Technologies Research Division, Research Institute of Petroleum Industry (RIPI), Tehran, I.R. IRANMeysam AminiEnergy Technologies Research Division, Research Institute of Petroleum Industry (RIPI), Tehran, I.R. IRAN0000-0002-9185-3193Ali ArefmaneshDepartment of Mechanical Engineering, University of Kashan, Kashan, I.R. IRANEsmaeil GhasemikafrudiDepartment of Mechanical Engineering, University of Kashan, Kashan, I.R. IRANJournal Article20170618<em>The buoyancy-driven boundary-layer flow from a heated horizontal circular cylinder immersed in a water-based alumina (Al<sub>2</sub>O<sub>3</sub>) nanofluid is investigated using variable properties for nanofluid viscosity. Two different viscosity models are utilized to evaluate heat transfer enhancement from a cylinder. Exact analytic solutions of the problem are attained employing a novel powerful technique is known as the Optimal Homotopy Analysis Method (OHAM). The accuracy and reliability of the results are verified by comparing them with experimental results in the literature. It is found that the characteristics of flow and temperature distributions are significantly influenced by the volume fraction of alumina nanoparticles, as well as nanofluid viscosity models. Enhancing the volume fraction of nanoparticles, the surface shear stress and the local Nusselt number both increase in the middle regions of the cylinder. The results also indicated that </em><em>with increasing the nanoparticles volume fraction, isotherms become less dense and the absolute values</em><em> of the stream-function decrease within the domain. Based on the results of the parametric study, </em><em>two correlations (based on two different effective viscosity models) are proposed for the average Nusselt</em><em> number of the alumina-water nanofluid in terms of volume fraction of the nanoparticles and the Rayleigh number which can be used as benchmarks for future investigations. However, uncertainties of viscosity models showed different manners on heat transfer coefficient versus nanoparticles volume fraction.</em>Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECRIranian Journal of Chemistry and Chemical Engineering1021-998638120190201CFD Modeling of the Feed Distribution System of a Gas-Solid Reactor2332422979110.30492/ijcce.2019.29791ENZahoor HussainDepartment of Chemical Engineering (DChE), Pakistan Institute of Engineering & Applied Sciences (PIEAS), Islamabad, PAKISTANMuhammad ZamanDepartment of Chemical Engineering (DChE), Pakistan Institute of Engineering & Applied Sciences (PIEAS), Islamabad, PAKISTANMuhammad NadeemDepartment of Chemical Engineering (DChE), Pakistan Institute of Engineering & Applied Sciences (PIEAS), Islamabad, PAKISTANAtta UllahDepartment of Chemical Engineering (DChE), Pakistan Institute of Engineering & Applied Sciences (PIEAS), Islamabad, PAKISTANJournal Article20170103<em>Granular flow simulation using CFD has received a lot of attention in recent years. </em><em>In such cases, CFD is either, coupled with Discrete Element Method (DEM) techniques for appropriate</em><em> incorporation of inter-particle collisions, or the Eulerian CFD approach is used in which granular particles are treated as they were fluid. In the present study, a CFD analysis was performed for</em><em> granular flow in an industrial screw feeder to study the choking phenomena. Eulerian multiphase</em><em> flow model, also known as two-fluid model in the case of two phases, was used along with the solids </em><em>closures based on Kinetic Theory of Granular Flow (KTGF). The rotating effect of the half pitch screw</em><em> was incorporated by using the immersed boundary method (IMB). Variation of mass flow through change in revolution per minute (RPM) and moisture content was studied in this work. A jump condition in the axial profiles of both the solid phase volume fraction and pressure was observed near the inlet. It was found that the jump condition in solid phase volume fraction and pressure profiles reduces by increase in the RPM of the screw.</em>Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECRIranian Journal of Chemistry and Chemical Engineering1021-998638120190201Thermal Design Considerations and Performance Evaluation of Cryogenic Tube in Tube Heat Exchangers2432532977410.30492/ijcce.2019.29774ENAli SaberimoghaddamDepartment of Chemistry and Chemical Engineering, Faculty of Chemical Engineering, Malek Ashtar University of Technology (MUT), Tehran, I.R. IRANMohammad Mahdi Bahri Rasht AbadiDepartment of Chemistry and Chemical Engineering, Faculty of Chemical Engineering, Malek Ashtar University of Technology (MUT), Tehran, I.R. IRANJournal Article20170602<em>Heat exchangers are the most important equipment in refrigeration processes. Design and modeling of heat exchangers operating at low temperatures are different from other regular heat exchangers. This study includes two sections. In the first section, design and modeling considerations needed for evaluating the real thermal behavior of heat exchangers at low temperatures were discussed. These considerations are usually neglected by researchers who have modeled the heat exchanger at low temperatures. In the second section, a counter current helically coiled tube in tube heat exchanger operating in hydrogen liquefier was modeled and simulated considering notes discussed in the first section. The model was validated compared with the data presented by literature. The results showed the small positive effect of longitudinal heat conduction on hydrogen liquefaction. The heat in-leak into cold fluid resulted in higher cold fluid outlet temperature and higher hot fluid outlet temperature. Simulations showed that the heat in-leak into cold fluid leads to limit the overdesign for cryogenic heat exchangers. A comparison between models with considering different assumptions was presented and showed that the result may vary significantly based on the regarded assumptions.</em>